1-(3-ethylcyclopentyl)-4-methoxy-4-methyl-N-propylpentan-1-amine

C17H35NO — CID 103035742

IUPAC1-(3-ethylcyclopentyl)-4-methoxy-4-methyl-N-propylpentan-1-amine
SMILESCCCNC(CCC(C)(C)OC)C1CCC(CC)C1
InChIInChI=1S/C17H35NO/c1-6-12-18-16(10-11-17(3,4)19-5)15-9-8-14(7-2)13-15/h14-16,18H,6-13H2,1-5H3
InChIKeyIJFGJGPOOMGOPJ-UHFFFAOYSA-N
MW269.47 g/mol
LogP4.39
Rot. Bonds9

About 1-(3-ethylcyclopentyl)-4-methoxy-4-methyl-N-propylpentan-1-amine

1-(3-ethylcyclopentyl)-4-methoxy-4-methyl-N-propylpentan-1-amine (PubChem CID 103035742) has the molecular formula C17H35NO and a molecular weight of 269.47 g/mol. Its IUPAC name is 1-(3-ethylcyclopentyl)-4-methoxy-4-methyl-N-propylpentan-1-amine.

Molecular Properties

Compound Name1-(3-ethylcyclopentyl)-4-methoxy-4-methyl-N-propylpentan-1-amine
PubChem CID103035742
Molecular FormulaC17H35NO
Molecular Weight269.47 g/mol
Exact Mass269.27
IUPAC Name1-(3-ethylcyclopentyl)-4-methoxy-4-methyl-N-propylpentan-1-amine
SMILESCCCNC(CCC(C)(C)OC)C1CCC(CC)C1
InChIInChI=1S/C17H35NO/c1-6-12-18-16(10-11-17(3,4)19-5)15-9-8-14(7-2)13-15/h14-16,18H,6-13H2,1-5H3
InChIKeyIJFGJGPOOMGOPJ-UHFFFAOYSA-N
XLogP4.39
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.47
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3-ethylcyclopentyl)-4-methoxy-4-methyl-N-propylpentan-1-amine?
The IUPAC name of 1-(3-ethylcyclopentyl)-4-methoxy-4-methyl-N-propylpentan-1-amine (CID 103035742) is 1-(3-ethylcyclopentyl)-4-methoxy-4-methyl-N-propylpentan-1-amine.
What is the SMILES notation for 1-(3-ethylcyclopentyl)-4-methoxy-4-methyl-N-propylpentan-1-amine?
The canonical SMILES for 1-(3-ethylcyclopentyl)-4-methoxy-4-methyl-N-propylpentan-1-amine is CCCNC(CCC(C)(C)OC)C1CCC(CC)C1.
What is the InChIKey of 1-(3-ethylcyclopentyl)-4-methoxy-4-methyl-N-propylpentan-1-amine?
The InChIKey is IJFGJGPOOMGOPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35NO/c1-6-12-18-16(10-11-17(3,4)19-5)15-9-8-14(7-2)13-15/h14-16,18H,6-13H2,1-5H3.
What are the key properties of 1-(3-ethylcyclopentyl)-4-methoxy-4-methyl-N-propylpentan-1-amine?
1-(3-ethylcyclopentyl)-4-methoxy-4-methyl-N-propylpentan-1-amine has a molecular weight of 269.47 g/mol, XLogP of 4.39, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethylcyclopentyl)-4-methoxy-4-methyl-N-propylpentan-1-amine is sourced from PubChem (CID 103035742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).